Allyl isovalerate

CAS 2835-39-4C8H14O2MW 142.10 g/mol

Allyl isovalerate（CAS 2835-39-4）：分子式 C8H14O2、分子量 142.10 g/mol。

规格参数

CAS号2835-39-4

分子式C8H14O2

分子量142.10 g/mol

沸点306.1 °F at 729 mmHg (NTP, 1992)

LogP2

应用领域Uses: Used as a fragrance in creams and lotions and as a flavoring agent、[HSDB]、FRAGRANCE、EG、IN CREAMS & LOTIONS、FLAVORING AGENT IN FOODS、BAKED GOODS、Allyl isovalerate has been used since the 1950s as a raw material for fragrances in cosmetics、lotions and perfumes and in certain food products、although it is not known whether it is currently used in this way (L1276).、Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Methods of Manufacturing: DIRECT ESTERIFICATION OF ALLYL ALCOHOL WITH ISOVALERIC ACID UNDER AZEOTROPIC CONDITIONS、SYNTH BY DIRECT ESTERIFICATION IN PRESENCE OF BENZENE.、U.S. Production: (1977) PROBABLY GREATER THAN 4.54X10+5 GRAMS、(1979) PROBABLY GREATER THAN 4.54X10+5 GRAMS、U.S. Imports: (1977) No Data、(1979) No Data、U.S. Exports: (1977) No Data、General Manufacturing Information: Butanoic acid、3-methyl-、2-propen-1-yl ester: ACTIVE、REPORTED USES: NON-ALCOHOLIC BEVERAGES 8.6 PPM、ICE CREAM、ICES、ETC 18 PPM、CANDY 22 PPM、BAKED GOODS 15-48 PPM、GELATINS & PUDDINGS 1.0 PPM.、FLAVOR USEFUL IN: APPLE、CHERRY FRUIT BLENDS、FEMA NUMBER 2045

用途与场景

登记用途：Uses: Used as a fragrance in creams and lotions and as a flavoring agent、[HSDB]、FRAGRANCE、EG、IN CREAMS & LOTIONS、FLAVORING AGENT IN FOODS、BAKED GOODS、Allyl isovalerate has been used since the 1950s as a raw material for fragrances in cosmetics、lotions and perfumes and in certain food products、although it is not known whether it is currently used in this way (L1276).、Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Methods of Manufacturing: DIRECT ESTERIFICATION OF ALLYL ALCOHOL WITH ISOVALERIC ACID UNDER AZEOTROPIC CONDITIONS、SYNTH BY DIRECT ESTERIFICATION IN PRESENCE OF BENZENE.、U.S. Production: (1977) PROBABLY GREATER THAN 4.54X10+5 GRAMS、(1979) PROBABLY GREATER THAN 4.54X10+5 GRAMS、U.S. Imports: (1977) No Data、(1979) No Data、U.S. Exports: (1977) No Data、General Manufacturing Information: Butanoic acid、3-methyl-、2-propen-1-yl ester: ACTIVE、REPORTED USES: NON-ALCOHOLIC BEVERAGES 8.6 PPM、ICE CREAM、ICES、ETC 18 PPM、CANDY 22 PPM、BAKED GOODS 15-48 PPM、GELATINS & PUDDINGS 1.0 PPM.、FLAVOR USEFUL IN: APPLE、CHERRY FRUIT BLENDS、FEMA NUMBER 2045。

采购档案

这个产品是什么

Allyl isovalerate 是一种化工化合物，登记 CAS 号为 2835-39-4，分子式 C8H14O2（分子量 142.10 g/mol）。

识别信息

登记 CAS 号：2835-39-4

其分子式 C8H14O2 由 8 个碳、14 个氢、2 个氧组成。

别名/同义词：Allyl isovalerate · Allylisovalerate

常见问题

Allyl isovalerate 的 CAS 号是多少？

Allyl isovalerate 的 CAS 登记号为 2835-39-4。

Allyl isovalerate 的分子式与分子量是多少？

分子式 C8H14O2，分子量 142.10 g/mol。

Allyl isovalerate 还有哪些别名？

别名/同义词：Allyl isovalerate、Allylisovalerate。

Allyl isovalerate 的登记用途是什么？

登记用途：Uses: Used as a fragrance in creams and lotions and as a flavoring agent、[HSDB]、FRAGRANCE、EG、IN CREAMS & LOTIONS、FLAVORING AGENT IN FOODS、BAKED GOODS、Allyl isovalerate has been used since the 1950s as a raw material for fragrances in cosmetics、lotions and perfumes and in certain food products、although it is not known whether it is currently used in this way (L1276).、Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Methods of Manufacturing: DIRECT ESTERIFICATION OF ALLYL ALCOHOL WITH ISOVALERIC ACID UNDER AZEOTROPIC CONDITIONS、SYNTH BY DIRECT ESTERIFICATION IN PRESENCE OF BENZENE.、U.S. Production: (1977) PROBABLY GREATER THAN 4.54X10+5 GRAMS、(1979) PROBABLY GREATER THAN 4.54X10+5 GRAMS、U.S. Imports: (1977) No Data、(1979) No Data、U.S. Exports: (1977) No Data、General Manufacturing Information: Butanoic acid、3-methyl-、2-propen-1-yl ester: ACTIVE、REPORTED USES: NON-ALCOHOLIC BEVERAGES 8.6 PPM、ICE CREAM、ICES、ETC 18 PPM、CANDY 22 PPM、BAKED GOODS 15-48 PPM、GELATINS & PUDDINGS 1.0 PPM.、FLAVOR USEFUL IN: APPLE、CHERRY FRUIT BLENDS、FEMA NUMBER 2045。

PubChem 公开数据

Allyl isovalerate（CAS 2835-39-4）的公开数据库记录，列此仅供独立核对。

危险化学品分类与危害说明

Reported hazard statements	H226 (100%), H301 (100%), H311 (100%)

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

法规与备案状态

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit JECFA ADI: 0-0.12 mg/kg bw (1990)

物理形态与操作说明

Allyl isovalerate is a clear colorless to pale yellow liquid with overripe fruit odor and an apple taste. (NTP, 1992)
Colorless to pale yellow liquid with an odor of overripe fruit; [CAMEO]
Colourless to pale yellow liquid with a fruity apple/cherry odour
LIQUID
PLEASANT OVER-RIPE FRUIT ODOR
APPLE TASTE

公开数据库收录的理化数据

沸点	306.1 °F at 729 mmHg (NTP, 1992)
沸点	89-90 °C
沸点	161.00 °C. @ 760.00 mm Hg
沸点	155 °C
闪点	103.5 °F (NTP, 1992)
闪点	40 °C
密度	0.879-0.884
蒸气压	13.0 [mmHg]
折射率	1.413-1.418

这个物质在各数据库里的编号

CAS Registry Number	2835-39-4
PubChem CID	17816
分子式	C8H14O2
分子量	142.10 g/mol
IUPAC 名称	prop-2-enyl 3-methylbutanoate
InChIKey	HOMAGVUCNZNWBC-UHFFFAOYSA-N
UNII（FDA）	3551Z86V7T
ChEBI 编号	CHEBI:82380
FEMA 编号	2045
JECFA 编号	7

数据库记载的用途

Used as a fragrance in creams and lotions and as a flavoring agent; [HSDB]
FRAGRANCE, EG, IN CREAMS & LOTIONS; FLAVORING AGENT IN FOODS, EG, BAKED GOODS
Allyl isovalerate has been used since the 1950s as a raw material for fragrances in cosmetics, lotions and perfumes and in certain food products, although it is not known whether it is currently used in this way (L1276).
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
DIRECT ESTERIFICATION OF ALLYL ALCOHOL WITH ISOVALERIC ACID UNDER AZEOTROPIC CONDITIONS

它在各数据库里的别名

ALLYL ISOVALERATE; 2835-39-4; Allyl isopentanoate; Allyl isovalerianate; Isovaleric acid, allyl ester; 2-Propenyl 3-methylbutanoate; 2-Propenyl isovalerate; Allyl 3-methylbutyrate; Butanoic acid, 3-methyl-, 2-propenyl ester; 2-Propenyl isopentanoate; prop-2-en-1-yl 3-methylbutanoate; FEMA No. 2045; 3-Methylbutyric acid, allyl ester; NCI-C54717; Butyric acid, 3-methyl-, allyl ester; 3-Methylbutanoic acid, 2-propenyl ester

计算机算出的分子描述符

分子量	142.20
XLogP3	2
氢键供体数	0
氢键受体数	2
可旋转键数	5
精确质量	142.099379685
单同位素质量	142.099379685
拓扑极性表面积	26.3
重原子数	10
形式电荷	0

数据库摘要

Allyl isovalerate is identified by CAS 2835-39-4, molecular formula C8H14O2 and molecular weight 142.10 g/mol. UNII 3551Z86V7T; ChEBI 82380; InChIKey HOMAGVUCNZNWBC-UHFFFAOYSA-N. 沸点: 306.1 °F at 729 mmHg (NTP, 1992); 沸点: 89-90 °C; 沸点: 161.00 °C. @ 760.00 mm Hg.

数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。