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(7Z,7'Z)-番茄红素 | 502-65-8

中文名称
(7Z,7'Z)-番茄红素
中文别名
L-苏-α-D-半乳-八吡喃糖苷,甲基7-氯-6,7,8-三脱氧-6-[[(1-甲基-4-丙基-2-吡咯烷基)羰基]氨基]-1-硫代甲基,磷酸),盐酸盐,(2S-反)-氢2-(苯基甲基
英文名称
ψ,ψ-carotene, 5,6,9,10,13,14,14',13',10',9',6',5'-hexa-cis-lycopene
英文别名
ψ,ψ-carotene, 5,6,9,10,13,14,14',13',10',9',6',5'-hexa-cis(?)-lycopene;(7Z,7'Z)-Lycopene;Lycopene;(6E,8Z,10E,12Z,14E,16Z,18E,20Z,22E,24Z,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene;(6E,8E,10E,12E,14E,16Z,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene;(6E,8E,10E,12E,14Z,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene;(6E,8E,10Z,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene;(5Z,9Z,5'Z)-Lycopene
(7Z,7'Z)-番茄红素化学式
CAS
502-65-8;2361-24-2;4418-71-7;13018-46-7;16840-24-7;57793-70-1;58001-82-4;59092-07-8;64727-64-6;71771-86-3;71869-49-3;101468-86-4;101468-87-5;124150-08-9;145633-21-2;145633-22-3;145678-42-8;145678-43-9;145678-44-0;145678-45-1;145678-46-2
化学式
C40H56
mdl
——
分子量
536.885
InChiKey
OAIJSZIZWZSQBC-KGBNRBBESA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    172-173°C
  • 沸点:
    644.94°C (rough estimate)
  • 密度:
    0.9380 (estimate)
  • 溶解度:
    苯(少量溶解)、氯仿(少量溶解)、乙酸乙酯(极少量)、甲烷
  • LogP:
    15.19
  • 稳定性/保质期:
    按规格使用和贮存,不会发生分解,并避免与氧化物接触。

计算性质

  • 辛醇/水分配系数(LogP):
    12.94
  • 重原子数:
    40.0
  • 可旋转键数:
    16.0
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.35
  • 拓扑面积:
    0.0
  • 氢给体数:
    0.0
  • 氢受体数:
    0.0

安全信息

  • 危险品标志:
    Xi
  • 安全说明:
    S26,S36/37/39
  • 危险类别码:
    R36/37/38
  • WGK Germany:
    3
  • 海关编码:
    3203001990
  • 危险品运输编号:
    NONH for all modes of transport
  • 危险性防范说明:
    P261,P305+P351+P338
  • 危险性描述:
    H302,H315,H319,H335
  • 储存条件:
    塑料袋封装,外部采用纸箱包装,并应密封避光,存放在阴凉干燥处,以防受潮。严禁与有害或有毒物质混存共放。

SDS

SDS:708254030261d55cc4bf81cfd1774809
查看

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Lycopene
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 502-65-8
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances



SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No 1272/2008
Not a hazardous substance or mixture according to EC-directives 67/548/EEC or 1999/45/EC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
: ψ,ψ-Carotene
Synonyms
2,6,10,14,19,23,27,31-Octamethyl-dotriaconta-
2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
Formula : C40H56
Molecular Weight : 536,87 g/mol
CAS-No. : 502-65-8
EC-No. : 207-949-1
No components need to be disclosed according to the applicable regulations.

SECTION 4: First aid measures
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Recommended storage temperature: -70 °C
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

从上述信息中,我们可以总结出关于番茄红素的一些关键点:

一、来源与提取
  • 来源:主要存在于成熟番茄及其他红色果蔬如灯笼辣椒、蔷薇果等中。
  • 提取方法
    • 天然植物(如番茄)中的提取:通常使用含1%乙醇的苯溶液进行溶解分离,或者通过石油醚溶液并用氧化镁吸附得到。
    • 油脂浸提也是常用的提取方法。
二、物理与化学性质
  • 外观:深红色晶体或油状液体;纯品为针状结晶体。
  • 熔点:174℃
  • 溶解性
    • 易溶于二硫化碳(1g/50ml)、沸腾乙醚(1g/3L)、正己烷(1g/14L, 0℃)
    • 溶于氯仿和苯。
    • 微溶于乙醇和甲醇
    • 不溶于水
三、稳定性
  • 对热:在50℃以下具有很好的稳定性。
  • 对酸碱
    • 酸性环境下相对稳定,但过低的pH值可能对其不利。
    • 碱性环境中的稳定性较差。
  • 金属离子:特别是Fe3+和Cu2+会严重影响其稳定性。
  • 光照:在光下极易降解,在暗处保存较好。
四、应用
  1. 食品工业:

    • 作为食用红色色素,用于番茄汁制品及其他食品中。
    • 在各种食品如肉类、汤料、酱类、糖果、小吃和面点等中添加以改善色泽或提供抗氧化功能。
  2. 医药与保健品领域:

    • 用于防治前列腺癌、乳腺癌及消化道癌症等多种癌症,以及降低皮肤癌、膀胱癌的风险。
    • 具有强身健体的作用,并具有美容功效。
  3. 美容护肤产品中:

    • 能够提供抗氧化保护。
  4. 化妆品工业:

    • 用于化妆品着色及防晒产品中。
  5. 生物医学研究:研究表明,番茄红素可通过上调间隙连接蛋白43的表达来促进细胞间通讯,并抑制癌细胞增殖;同时还能减少胆固醇合成并促进其分解。因此在生物医学领域有着广泛的研究价值。

五、生产方法
  • 天然植物提取法:如用含1%乙醇的苯溶解分离。
  • 吸附纯化法:通过石油醚溶液中的氧化镁吸附获得纯净产品。
  • 油脂浸提技术也是常见的制备手段之一。

同类化合物

(5β,6α,8α,10α,13α)-6-羟基-15-氧代黄-9(11),16-二烯-18-油酸 (3S,3aR,8aR)-3,8a-二羟基-5-异丙基-3,8-二甲基-2,3,3a,4,5,8a-六氢-1H-天青-6-酮 (2Z)-2-(羟甲基)丁-2-烯酸乙酯 (2S,4aR,6aR,7R,9S,10aS,10bR)-甲基9-(苯甲酰氧基)-2-(呋喃-3-基)-十二烷基-6a,10b-二甲基-4,10-dioxo-1H-苯并[f]异亚甲基-7-羧酸盐 (+)顺式,反式-脱落酸-d6 龙舌兰皂苷乙酯 龙脑香醇酮 龙脑烯醛 龙脑7-O-[Β-D-呋喃芹菜糖基-(1→6)]-Β-D-吡喃葡萄糖苷 龙牙楤木皂甙VII 龙吉甙元 齿孔醇 齐墩果醛 齐墩果酸苄酯 齐墩果酸甲酯 齐墩果酸乙酯 齐墩果酸3-O-alpha-L-吡喃鼠李糖基(1-3)-beta-D-吡喃木糖基(1-3)-alpha-L-吡喃鼠李糖基(1-2)-alpha-L-阿拉伯糖吡喃糖苷 齐墩果酸 beta-D-葡萄糖酯 齐墩果酸 beta-D-吡喃葡萄糖基酯 齐墩果酸 3-乙酸酯 齐墩果酸 3-O-beta-D-葡吡喃糖基 (1→2)-alpha-L-吡喃阿拉伯糖苷 齐墩果酸 齐墩果-12-烯-3b,6b-二醇 齐墩果-12-烯-3,24-二醇 齐墩果-12-烯-3,21,23-三醇,(3b,4b,21a)-(9CI) 齐墩果-12-烯-3,11-二酮 齐墩果-12-烯-2α,3β,28-三醇 齐墩果-12-烯-29-酸,3,22-二羟基-11-羰基-,g-内酯,(3b,20b,22b)- 齐墩果-12-烯-28-酸,3-[(6-脱氧-4-O-b-D-吡喃木糖基-a-L-吡喃鼠李糖基)氧代]-,(3b)-(9CI) 鼠特灵 鼠尾草酸醌 鼠尾草酸 鼠尾草酚酮 鼠尾草苦内脂 黑蚁素 黑蔓醇酯B 黑蔓醇酯A 黑蔓酮酯D 黑海常春藤皂苷A1 黑檀醇 黑果茜草萜 B 黑五味子酸 黏黴酮 黏帚霉酸 黄黄质 黄钟花醌 黄质醛 黄褐毛忍冬皂苷A 黄蝉花素 黄蝉花定